Geometry & MOs

Info

ID:	167665
PubChem CID:	74855133
Reduced:	FSO2N4H19C26 (1)
Stoich.:	ABC2D4E19F26 (1)
Weight, g/mol:	402.226705
ΔH_f, kcal/mol:	57.48
Dipole, Da:	3.31
IP(EA), eV:	-8.95(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-amino-1-butyl-2,4-dioxo-1,3-diazinan-5-yl)-N-[(2-methoxyphenyl)methyl]-3-methylbut-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=NO2)CSC3=NC(=CC4=CC=CC=C4)C(=O)N3C5=CC=C(C=C5)F

DOS

IR

Vibrations